Information card for entry 1547239

Structure parameters

• Formula: C31 H18 Cl6 O4 S2
• Calculated formula: C31 H18 Cl6 O4 S2
• Title of publication: Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.
• Authors of publication: Takase, Ko; Noguchi, Keiichi; Nakano, Koji
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5082 - 5085
• a: 12.2019 ± 0.0002 Å
• b: 15.4584 ± 0.0003 Å
• c: 16.691 ± 0.0003 Å
• α: 90°
• β: 94.737 ± 0.001°
• γ: 90°
• Cell volume: 3137.53 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No